(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 2-(methoxymethyl)-4-methyl-quinoline-3-carboxylate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 2-(methoxymethyl)-4-methyl-quinoline-3-carboxylate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 2-(methoxymethyl)-4-methyl-quinoline-3-carboxylate CAS Name: 2-(methoxymethyl)-4-methyl-3-quinolinecarboxylic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 2-(methoxymethyl)-4-methylquinoline-3-carboxylate Traditional Name: 2-(methoxymethyl)-4-methyl-quinoline-3-carboxylic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C22H20ClNO5 MolecularWeight: 413.8509

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)COC)C(=O)OCC3=C4C(=CC(=C3)Cl)COCO4

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)COC)C(=O)OCC3=C4C(=CC(=C3)Cl)COCO4

InChI

InChI=1S/C22H20ClNO5/c1-13-17-5-3-4-6-18(17)24-19(11-26-2)20(13)22(25)28-10-15-8-16(23)7-14-9-27-12-29-21(14)15/h3-8H,9-12H2,1-2H3